Geometry & MOs

Info

ID:	305260
PubChem CID:	124767820
Reduced:	NO4C15H15 (1)
Stoich.:	AB4C15D15 (1)
Weight, g/mol:	322.135114
ΔH_f, kcal/mol:	-111.2
Dipole, Da:	5.05
IP(EA), eV:	-9.88(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-2-[[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)[C@@H]2[C@H]3C=C[C@H]([C@H]2C(=O)O)O3

DOS

IR

Vibrations